N-[3-(methylamino)propyl]-1H-indole-5-carboxamide

C13H17N3O — CID 63749863

IUPACN-[3-(methylamino)propyl]-1H-indole-5-carboxamide
SMILESCNCCCNC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C13H17N3O/c1-14-6-2-7-16-13(17)11-3-4-12-10(9-11)5-8-15-12/h3-5,8-9,14-15H,2,6-7H2,1H3,(H,16,17)
InChIKeyNHAIHFUMCOJQNM-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.51
Rot. Bonds5

About N-[3-(methylamino)propyl]-1H-indole-5-carboxamide

N-[3-(methylamino)propyl]-1H-indole-5-carboxamide (PubChem CID 63749863) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-1H-indole-5-carboxamide
PubChem CID63749863
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[3-(methylamino)propyl]-1H-indole-5-carboxamide
SMILESCNCCCNC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C13H17N3O/c1-14-6-2-7-16-13(17)11-3-4-12-10(9-11)5-8-15-12/h3-5,8-9,14-15H,2,6-7H2,1H3,(H,16,17)
InChIKeyNHAIHFUMCOJQNM-UHFFFAOYSA-N
XLogP1.51
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-hydroxyhexyl)-1H-indole-5-carboxamide
CID 103918779
N-(3-butoxypropyl)-1H-indole-5-carboxamide
CID 115618115
N-(3-methylsulfinylpropyl)-1H-indole-5-carboxamide
CID 115621267
N-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide
CID 63718286
N-(5-amino-5-oxopentyl)-1H-indole-5-carboxamide
CID 103896359
N-[2-(dimethylcarbamoylamino)ethyl]-1H-indole-5-carboxamide
CID 83114551
methyl 3-(1H-indole-5-carbonylamino)propanoate
CID 63718794
N-[3-(2-methylpropoxy)propyl]-1H-indole-5-carboxamide
CID 63718064
N-prop-2-ynyl-1H-indole-5-carboxamide
CID 63717307
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-1H-indole-5-carboxamide
CID 97024088
N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
CID 113282701
N-(2-cyclopropyl-2-hydroxyethyl)-1H-indole-5-carboxamide
CID 55257824

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[3-(methylamino)propyl]-1H-indole-5-carboxamide (CID 63749863) is N-[3-(methylamino)propyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[3-(methylamino)propyl]-1H-indole-5-carboxamide is CNCCCNC(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[3-(methylamino)propyl]-1H-indole-5-carboxamide?
The InChIKey is NHAIHFUMCOJQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-14-6-2-7-16-13(17)11-3-4-12-10(9-11)5-8-15-12/h3-5,8-9,14-15H,2,6-7H2,1H3,(H,16,17).
What are the key properties of N-[3-(methylamino)propyl]-1H-indole-5-carboxamide?
N-[3-(methylamino)propyl]-1H-indole-5-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 63749863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).